5-(chloromethyl)-2,3-bis(4-fluorophenyl)pyridine

C18H12ClF2N — CID 131870202

IUPAC5-(chloromethyl)-2,3-bis(4-fluorophenyl)pyridine
SMILESFc1ccc(-c2cc(CCl)cnc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H12ClF2N/c19-10-12-9-17(13-1-5-15(20)6-2-13)18(22-11-12)14-3-7-16(21)8-4-14/h1-9,11H,10H2
InChIKeyZNHKPDNTKHWEKA-UHFFFAOYSA-N
MW315.75 g/mol
LogP5.43
Rot. Bonds3

About 5-(chloromethyl)-2,3-bis(4-fluorophenyl)pyridine

5-(chloromethyl)-2,3-bis(4-fluorophenyl)pyridine (PubChem CID 131870202) has the molecular formula C18H12ClF2N and a molecular weight of 315.75 g/mol. Its IUPAC name is 5-(chloromethyl)-2,3-bis(4-fluorophenyl)pyridine.

Molecular Properties

Compound Name5-(chloromethyl)-2,3-bis(4-fluorophenyl)pyridine
PubChem CID131870202
Molecular FormulaC18H12ClF2N
Molecular Weight315.75 g/mol
Exact Mass315.06
IUPAC Name5-(chloromethyl)-2,3-bis(4-fluorophenyl)pyridine
SMILESFc1ccc(-c2cc(CCl)cnc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H12ClF2N/c19-10-12-9-17(13-1-5-15(20)6-2-13)18(22-11-12)14-3-7-16(21)8-4-14/h1-9,11H,10H2
InChIKeyZNHKPDNTKHWEKA-UHFFFAOYSA-N
XLogP5.43
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.75
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(chloromethyl)-3,5-bis(4-fluorophenyl)pyridine
CID 131869651
5-ethyl-3-(4-fluorophenyl)-2-methoxypyridine
CID 163866261
2-[[5,6-bis(4-chlorophenyl)-3-pyridinyl]methyl]-1-(4-fluorophenyl)sulfonylguanidine
CID 134227830
3-[4-(chloromethyl)phenyl]-5-(4-fluorophenyl)pyrazolo[1,5-b]pyridazine
CID 177316412
3-(chloromethyl)-5-(2,4-difluorophenyl)pyridine
CID 165454838
6-chloro-4-(4-fluorophenyl)pyridine-3-carboxylic acid
CID 23502836
4-(chloromethyl)-2,3-bis(4-fluorophenyl)pyridine
CID 131869642
2-[5-chloro-2-(4-fluorophenyl)-3-pyridinyl]acetic acid
CID 131869717
5,6-bis(4-chlorophenyl)pyridin-3-amine
CID 174766638
2,3,5,6-tetrakis(4-fluorophenyl)pyrazine
CID 132966321
3-(4-fluorophenyl)-2-[4-(hydroxymethyl)phenyl]-1,6-naphthyridine-7-carboxamide
CID 177349653
2-(3-bromo-4-fluorophenyl)-5-(chloromethyl)pyrimidine
CID 82802858

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2,3-bis(4-fluorophenyl)pyridine?
The IUPAC name of 5-(chloromethyl)-2,3-bis(4-fluorophenyl)pyridine (CID 131870202) is 5-(chloromethyl)-2,3-bis(4-fluorophenyl)pyridine.
What is the SMILES notation for 5-(chloromethyl)-2,3-bis(4-fluorophenyl)pyridine?
The canonical SMILES for 5-(chloromethyl)-2,3-bis(4-fluorophenyl)pyridine is Fc1ccc(-c2cc(CCl)cnc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 5-(chloromethyl)-2,3-bis(4-fluorophenyl)pyridine?
The InChIKey is ZNHKPDNTKHWEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF2N/c19-10-12-9-17(13-1-5-15(20)6-2-13)18(22-11-12)14-3-7-16(21)8-4-14/h1-9,11H,10H2.
What are the key properties of 5-(chloromethyl)-2,3-bis(4-fluorophenyl)pyridine?
5-(chloromethyl)-2,3-bis(4-fluorophenyl)pyridine has a molecular weight of 315.75 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2,3-bis(4-fluorophenyl)pyridine is sourced from PubChem (CID 131870202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).